N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine

C13H19ClN2 — CID 95731898

IUPACN-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
SMILESClc1ccccc1CNC[C@H]1CCCCN1
InChIInChI=1S/C13H19ClN2/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-2,5,7,12,15-16H,3-4,6,8-10H2/t12-/m1/s1
InChIKeyMHZGHFLMMSPBDU-GFCCVEGCSA-N
MW238.76 g/mol
LogP2.57
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine

N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine (PubChem CID 95731898) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
PubChem CID95731898
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
SMILESClc1ccccc1CNC[C@H]1CCCCN1
InChIInChI=1S/C13H19ClN2/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-2,5,7,12,15-16H,3-4,6,8-10H2/t12-/m1/s1
InChIKeyMHZGHFLMMSPBDU-GFCCVEGCSA-N
XLogP2.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
N-(naphthalen-1-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106633869
2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926908
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560934
N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 71640791
(2S)-2-[(2-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 103289465
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329577
N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 115209330
2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829905
N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine
CID 97163969
1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine
CID 106122381

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine (CID 95731898) is N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine is Clc1ccccc1CNC[C@H]1CCCCN1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine?
The InChIKey is MHZGHFLMMSPBDU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-2,5,7,12,15-16H,3-4,6,8-10H2/t12-/m1/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine?
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine has a molecular weight of 238.76 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine is sourced from PubChem (CID 95731898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).